SCHEMBL19172941

SCHEMBL19172941

N[C@H]1CC[C@H](NC(=O)NC23CC4CC(C2)CC(c2ccccc2)(C4)C3)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ EPHX2 P34913 13/20 0.51
▸ EPHX1 P07099 5/20 0.49
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19149452 1.00 KMT2A (0.54) KMT2AMEN1EPHX2EPHX1ALDH1A1
SCHEMBL19148934 0.86 EPHX2 (0.61) KMT2AMEN1EPHX2EPHX1ALDH1A1
SCHEMBL19173466 0.84 KMT2A (0.50) KMT2AMEN1EPHX2ALDH1A1HPGD
SCHEMBL19173946 0.84 EPHX2 (0.43) KMT2AMEN1EPHX2EPHX1GRIN2D
SCHEMBL24139700 0.81 LMNA (0.55) KMT2AMEN1ALDH1A1GRIN2DGRIN3B
SCHEMBL24139659 0.81 LMNA (0.55) KMT2AMEN1ALDH1A1GRIN2DGRIN3B
SCHEMBL19173532 0.79 KMT2A (0.57) KMT2AMEN1EPHX2ALDH1A1HPGD
SCHEMBL4212248 0.79 KMT2A (0.60) KMT2AMEN1EPHX2ALDH1A1HPGD
SCHEMBL6508475 0.77 EPHX2 (0.73) EPHX2EPHX1
SCHEMBL29327072 0.77 GRIN2D (0.47) KMT2AMEN1ALDH1A1GRIN2DGRIN3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017127306-A1 ADAMATANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION ARISAN THERAPEUTICS (US) 2017-07-27 — — WO disclosed
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